magnesium;hydride;naphthalen-1-yl N-methylcarbamate

C12H13MgNO2 — CID 173327127

IUPACmagnesium;hydride;naphthalen-1-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccccc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H11NO2.Mg.2H/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-8H,1H3,(H,13,14);;;/q;+2;2*-1
InChIKeyGRYDHCMMOLQEEG-UHFFFAOYSA-N
MW227.55 g/mol
LogP2.40
Rot. Bonds1

About magnesium;hydride;naphthalen-1-yl N-methylcarbamate

magnesium;hydride;naphthalen-1-yl N-methylcarbamate (PubChem CID 173327127) has the molecular formula C12H13MgNO2 and a molecular weight of 227.55 g/mol. Its IUPAC name is magnesium;hydride;naphthalen-1-yl N-methylcarbamate.

Molecular Properties

Compound Namemagnesium;hydride;naphthalen-1-yl N-methylcarbamate
PubChem CID173327127
Molecular FormulaC12H13MgNO2
Molecular Weight227.55 g/mol
Exact Mass227.08
IUPAC Namemagnesium;hydride;naphthalen-1-yl N-methylcarbamate
SMILESCNC(=O)Oc1cccc2ccccc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H11NO2.Mg.2H/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-8H,1H3,(H,13,14);;;/q;+2;2*-1
InChIKeyGRYDHCMMOLQEEG-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
naphthalen-1-yl N-methylcarbamate
CID 23447097
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate;naphthalen-1-yl N-methylcarbamate
CID 87504977
2-(naphthalen-1-yloxycarbonylamino)acetic acid
CID 82294572
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate
CID 71356284
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
3-(4-chlorophenyl)-1,1-dimethylurea;1,1-dimethyl-3-phenylurea;naphthalen-1-yl N-methylcarbamate;2,2,2-trichloroacetic acid
CID 70616665
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
naphthalen-1-yl 2-methoxyacetate
CID 19894343
1-benzothiophen-7-yl N-methylcarbamate
CID 130006120

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;naphthalen-1-yl N-methylcarbamate?
The IUPAC name of magnesium;hydride;naphthalen-1-yl N-methylcarbamate (CID 173327127) is magnesium;hydride;naphthalen-1-yl N-methylcarbamate.
What is the SMILES notation for magnesium;hydride;naphthalen-1-yl N-methylcarbamate?
The canonical SMILES for magnesium;hydride;naphthalen-1-yl N-methylcarbamate is CNC(=O)Oc1cccc2ccccc12.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;naphthalen-1-yl N-methylcarbamate?
The InChIKey is GRYDHCMMOLQEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.Mg.2H/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-8H,1H3,(H,13,14);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;naphthalen-1-yl N-methylcarbamate?
magnesium;hydride;naphthalen-1-yl N-methylcarbamate has a molecular weight of 227.55 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;naphthalen-1-yl N-methylcarbamate is sourced from PubChem (CID 173327127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).